N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide

C16H15NO4S — CID 68660252

IUPACN-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H15NO4S/c1-22(20,21)17-14-7-5-13(6-8-14)16(19)11-4-12-2-9-15(18)10-3-12/h2-11,17-18H,1H3
InChIKeySRFIHFLCGJFITK-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide

N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide (PubChem CID 68660252) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
PubChem CID68660252
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H15NO4S/c1-22(20,21)17-14-7-5-13(6-8-14)16(19)11-4-12-2-9-15(18)10-3-12/h2-11,17-18H,1H3
InChIKeySRFIHFLCGJFITK-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]methanesulfonamide
CID 76878493
N-[4-[(Z)-3-pyridin-3-ylprop-2-enoyl]phenyl]methanesulfonamide
CID 97464244
[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] methanesulfonate
CID 74381218
N-[4-[3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 76878528
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonic acid
CID 87534128
N-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-3-nitrobenzenesulfonamide
CID 24989954
N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528764
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide (CID 68660252) is N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
The InChIKey is SRFIHFLCGJFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-22(20,21)17-14-7-5-13(6-8-14)16(19)11-4-12-2-9-15(18)10-3-12/h2-11,17-18H,1H3.
What are the key properties of N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide?
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 68660252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).